Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213790
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
4BB | 4-tert-butyl-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DP3 | 0.78 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.71 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.71 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.71 | |
2BC | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene- 2-carbohydrazide | A,B,C,D,E,F | 3DP0 | 0.75 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.71 | |
K05 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.79 | |
NAR | NARINGENIN | A,B | 2UXU | 0.71 | |
NAR | NARINGENIN | A | 2BRT | 0.71 | |
NAR | NARINGENIN | A | 1CGK | 0.71 | |
NAR | NARINGENIN | A,B | 1EYQ | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.72 | |
4BE | 4-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DP2 | 0.81 | |
3BE | 3-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DOZ | 0.81 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.71 | |
1BA | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE | A | 2GPP | 0.73 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.72 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.73 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.73 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.74 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.75 | |
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.71 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.74 | |
GEN | GENISTEIN | A | 1QKM | 0.73 | |
GEN | GENISTEIN | A,B | 1X7J | 0.73 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.73 | |
GEN | GENISTEIN | A | 1X7R | 0.73 | |
2RB | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]- 4-methoxybenzohydrazide | A,B,C,D,E,F | 3DP1 | 0.87 | |
2BE | 4-chloro-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DOY | 0.77 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.73 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.7 |